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CAS 851477-19-5 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-(9R)-cinchonan-9-yl- Thiourea molecular structure lightbox
CAS RN: 851477-19-5

N-[3,5-bis(trifluoroMethyl)phenyl]-N’-(9R)-cinchonan-9-yl- Thiourea

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250618 100mg In stock Chengdu Inquiry
Batchno.20250425 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260405 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260212 50mg In stock Shanghai Inquiry
Batchno.20250922 5g Out of stock Inquiry
  • Product code: SSC-193308
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 851477-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

851477-19-5 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]thiourea

Standard CAS: 851477-19-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851477-19-5
Multi CAS
Yes
Molecular Formula
C28F6H26N4S
Molecular Weight
564.600000
Exact Mass
564.178237
InChI
InChI=1S/C28H26F6N4S/c1-2-16-15-38-10-8-17(16)11-24(38)25(22-7-9-35-23-6-4-3-5-21(22)23)37-26(39)36-20-13-18(27(29,30)31)12-19(14-20)28(32,33)34/h2-7,9,12-14,16-17,24-25H,1,8,10-11,15H2,(H2,36,37,39)/t16-,17-,24+,25+/m0/s1
InChIKey
IIQBCCXHYIEQTC-WAJMBDEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
142.06
TPSA
40.19

LogP / Solubility

WLOGP
7.2
MLOGP
6.38
XLogP3
6.4
Consensus LogP
6.66
Log S (ESOL)
-7.85
Class (ESOL)
Insoluble
Log S (Ali)
-9.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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